1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine

C18H23N3 — CID 43768120

IUPAC1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(N2CCCC2)cc1)c1cccnc1
InChIInChI=1S/C18H23N3/c1-15(17-5-4-10-19-14-17)20-13-16-6-8-18(9-7-16)21-11-2-3-12-21/h4-10,14-15,20H,2-3,11-13H2,1H3
InChIKeyHUCBJHVYBOMXSX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.53
Rot. Bonds5

About 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine

1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 43768120) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID43768120
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(N2CCCC2)cc1)c1cccnc1
InChIInChI=1S/C18H23N3/c1-15(17-5-4-10-19-14-17)20-13-16-6-8-18(9-7-16)21-11-2-3-12-21/h4-10,14-15,20H,2-3,11-13H2,1H3
InChIKeyHUCBJHVYBOMXSX-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
(1R)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 124516341

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 43768120) is 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine is CC(NCc1ccc(N2CCCC2)cc1)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is HUCBJHVYBOMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15(17-5-4-10-19-14-17)20-13-16-6-8-18(9-7-16)21-11-2-3-12-21/h4-10,14-15,20H,2-3,11-13H2,1H3.
What are the key properties of 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43768120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).